5NCR
OH1 from the Orf virus: a tyrosine phosphatase that displays distinct structural features and triple substrate specificity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2015-09-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.89 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.558, 63.554, 55.391 |
| Unit cell angles | 90.00, 97.07, 90.00 |
Refinement procedure
| Resolution | 17.730 - 1.890 |
| R-factor | 0.189 |
| Rwork | 0.187 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cm3 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.580 | 1.970 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.141 | 0.141 |
| Rmeas | 0.170 | 2.627 |
| Rpim | 0.094 | 1.538 |
| Total number of observations | 84484 | |
| Number of reflections | 26622 | |
| <I/σ(I)> | 4.4 | |
| Completeness [%] | 95.0 | 95 |
| Redundancy | 3.2 | 2.4 |
| CC(1/2) | 0.989 | 0.174 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | 30% PEG MME 2K, Na-Acetate pH 4.6, 0.2M NH42SO4 |
